UCSF

ZINC41449744

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 7.56 -37.31 3 6 1 66 395.527 7
Mid Mid (pH 6-8) 2.12 7.54 -40.63 3 6 1 66 395.527 7
Mid Mid (pH 6-8) 2.12 5.28 -6.5 2 6 0 65 394.519 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )